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	hartrees
Energy at 0K	-241.971579
Energy at 298.15K	-241.980880
Nuclear repulsion energy	197.256206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3707	3504	0.00
2	A₁'	2698	2551	0.00
3	A₁'	953	901	0.00
4	A₁'	867	820	0.00
5	A₂'	1347	1273	0.00
6	A₂'	1259	1191	0.00
7	A₂'	1070	1012	0.00
8	A₂"	912	862	221.64
9	A₂"	731	691	77.50
10	A₂"	373	352	40.02
11	E'	3708	3506	46.38
11	E'	3708	3506	46.38
12	E'	2689	2542	304.57
12	E'	2689	2542	304.57
13	E'	1513	1430	561.72
13	E'	1513	1430	561.72
14	E'	1422	1344	35.84
14	E'	1422	1344	35.84
15	E'	1099	1039	0.04
15	E'	1099	1039	0.04
16	E'	955	903	0.00
16	E'	955	903	0.00
17	E'	524	496	0.19
17	E'	524	496	0.19
18	E"	917	866	0.00
18	E"	917	866	0.00
19	E"	697	659	0.00
19	E"	697	659	0.00
20	E"	270	255	0.00
20	E"	270	255	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.413
N2	1.224	-0.707
N3	-1.224	-0.707
B4	0.000	-1.457
B5	-1.262	0.728
B6	1.262	0.728
H7	0.000	2.422
H8	2.097	-1.211
H9	-2.097	-1.211
H10	0.000	-2.647
H11	-2.293	1.324
H12	2.293	1.324

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4481	2.4481	2.8702	1.4356	1.4356	1.0081	3.3592	3.3592	4.0609	2.2945	2.2945
N2	2.4481		2.4481	1.4356	2.8702	1.4356	3.3592	1.0081	3.3592	2.2945	4.0609	2.2945
N3	2.4481	2.4481		1.4356	1.4356	2.8702	3.3592	3.3592	1.0081	2.2945	2.2945	4.0609
B4	2.8702	1.4356	1.4356		2.5233	2.5233	3.8784	2.1115	2.1115	1.1906	3.6039	3.6039
B5	1.4356	2.8702	1.4356	2.5233		2.5233	2.1115	3.8784	2.1115	3.6039	1.1906	3.6039
B6	1.4356	1.4356	2.8702	2.5233	2.5233		2.1115	2.1115	3.8784	3.6039	3.6039	1.1906
H7	1.0081	3.3592	3.3592	3.8784	2.1115	2.1115		4.1942	4.1942	5.0690	2.5420	2.5420
H8	3.3592	1.0081	3.3592	2.1115	3.8784	2.1115	4.1942		4.1942	2.5420	5.0690	2.5420
H9	3.3592	3.3592	1.0081	2.1115	2.1115	3.8784	4.1942	4.1942		2.5420	2.5420	5.0690
H10	4.0609	2.2945	2.2945	1.1906	3.6039	3.6039	5.0690	2.5420	2.5420		4.5855	4.5855
H11	2.2945	4.0609	2.2945	3.6039	1.1906	3.6039	2.5420	5.0690	2.5420	4.5855		4.5855
H12	2.2945	2.2945	4.0609	3.6039	3.6039	1.1906	2.5420	2.5420	5.0690	4.5855	4.5855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	116.998	N1	B5	H11	121.501
N1	B6	N2	116.998	N1	B6	H12	121.501
N2	B4	N3	116.998	N2	B4	H10	121.501
N2	B6	H12	121.501	N3	B4	H10	121.501
N3	B5	H11	121.501	B4	N2	B6	123.002
B4	N2	H8	118.499	B4	N3	B5	123.002
B4	N3	H9	118.499	B5	N1	B6	123.002
B5	N1	H7	118.499	B5	N3	H9	118.499
B6	N1	H7	118.499	B6	N2	H8	118.499

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: QCISD/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for B3N3H6 (borazine)

using model chemistry: QCISD/6-31+G**

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)